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1 <tool id="mayatoolsbase" name="mayatools" version="1.0.1">
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2 <description>extract data from file according to field name and Ids </description>
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3 <requirements>
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4 <!--requirement type="set_environment">MAYATOOL_PATH</requirement-->
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5
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6 </requirements>
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7 <command interpreter="perl">mayachemtool/test.pl $outputsdf $inputsdf $Identifier $indexnumbers ;</command>
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8 <inputs>
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9 <param name="inputsdf" type="data" format="sdf" label="Main Data File" />
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10 <param name="Identifier" type="text" label="Field name" help="Give field name of molecules on which compound need to be extracted Ex. MolID,PUBCHEM_COMPOUND_ID,CID etc." />
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11 <param name="indexnumbers" type="data" format="txt" label="Id file which need to be extracted from dataset" />
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12
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13 <!--param name="max_olap" type="integer" value="50" label="Set maximum overlap length" help="Overlaps this short or shorter are ignored." /-->
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14 </inputs>
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15 <outputs>
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16 <data name="outputsdf" type="data" label="${outputsdf}.sdf" />
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17
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18 </outputs>
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19 <tests>
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20
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21 </tests>
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22 </tool>
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